SCHEMBL4172007

SCHEMBL4172007

COc1ccc(Cn2c(=O)[nH]c(=O)c3nccnc32)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 1/20 0.43
PDE9A O76083 4/20 0.42
APLNR P35414 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FYN P06241 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21463867 0.82 KDM4E (0.48) KDM4EMAPK1GRIN1GRIN2BALDH1A1
SCHEMBL28301483 0.81 PNP (0.55) KDM4EMAPK1PDE9AAPLNRADORA3
SCHEMBL29936778 0.77 GRIN1 (0.41) KDM4EMAPK1PDE9AAPLNRADORA3
SCHEMBL3229932 0.75 ALDH1A1 (0.52) KDM4EMAPK1ADORA3ALDH1A1HPGD
SCHEMBL4174608 0.75 MAPT (0.51) ADORA3ALDH1A1MAPTTP53RXFP1
SCHEMBL3231780 0.74 MEN1 (0.45) KDM4EPDE9AADORA3ALDH1A1HPGD
SCHEMBL19577097 0.72 HSD17B10 (0.62) KDM4EMAPK1ALDH1A1TSHRHPGD
SCHEMBL27033303 0.72 BRD4 (0.41) KDM4EPDE9AAPLNRADORA3GRIN1
SCHEMBL29344499 0.72 PDE9A (0.42) KDM4EMAPK1PDE9AADORA3GRIN1
SCHEMBL4039914 0.71 CYP1A2 (0.49) KDM4EMAPK1ALDH1A1TSHRHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090088439-A1 Diazinane Compounds GABRB1, GRPR, GIPR KDM4E 3842/4885MAPK1 2809/4885PDE9A 481/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.